天然气水合物生成动力学模型模拟计算改进  

Improved dynamic model imitation calculations for natural gas hydrate formation

作　　者：殷德宏[1] 任亮[1] 姚立忱[1] 樊栓狮[2] 祝刚[1] 王金渠[1] 

机构地区：[1]大连理工大学化工学院,辽宁大连116012 [2]中国科学院广州能源所水合物与天然气研究中心,广东广州510070

出　　处：《大连理工大学学报》2004年第4期486-489,共4页Journal of Dalian University of Technology

基　　金：国家重点基础研究规划项目(G2000026306);中国科学院院长特别基金资助项目;广东省自然科学基金资助项目(990039);广东省重点科技攻关项目(2KB06301S).

摘　　要：对描述水合物生成过程的Langmuir方程进行了研究,指出了其应用时的局限性;将动力学成核机理中的能量变化分为3部分,提出了动力学模型模拟计算的改进方法,并据此计算出气体水合物吸附过程中受温度和压力影响的动力学因素——成核临界半径,关联出成核半径与能量和温度的关系.计算结果表明,水合物的生成焓变、Gibbs自由能和临界半径随温度升高分别升高、降低、降低.Langmuir equation used in depicting natural gas hydrate formation is studied. The limitations of the equation are pointed out. Energy variation of gas hydrate dynamic formation mechanism is divided into three parts, and its improved method of dynamic model imitation calculation is put forward. In view of the above calculations, the dynamic factor-critical radii affected by temperature and pressure in natural gas hydrate formation is worked out, and the relationship between energy variations and critical radii and temperatures are also associated. The computational solution shows that hydrate forming enthalpies, Gibbs free energy and critical radii ascend, descend and descend with temperature heightening separately.

关 键 词：天然气水合物 生成动力学模型 模拟计算 热力学模型 分子动力学 成核临界半径 Langmulr方程 

分 类 号：O742.6[理学—晶体学] TQ013[化学工程]